Information card for entry 4038406

Structure parameters

• Formula: C20 H13 F4 I2 N O2
• Calculated formula: C20 H13 F4 I2 N O2
• Title of publication: Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.
• Authors of publication: Brittain, William David George; Cobb, Steven L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.3523 ± 0.0003 Å
• b: 12.789 ± 0.0003 Å
• c: 12.8327 ± 0.0003 Å
• α: 90°
• β: 94.17 ± 0.002°
• γ: 90°
• Cell volume: 2021.86 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No